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Systematic comparison of the benzynes, pyridynes, and pyridynium cations and characterization of the Bergman cyclization of Z-but-1-en-3-yn-1-yl isonitrile to the meta diradical 2,4-pyridyne • ARTICLE Stefan L. Debbert and Christopher J. Cramer SummaryPlus | Full Text + Links | PDF (277 K) | |||
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Ab initio spectroscopic properties for HgTl+ • ARTICLE Ralf Wesendrup, Lars Kloo and Peter Schwerdtfeger SummaryPlus | Full Text + Links | PDF (68 K) | |||
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Collisional activation, neutralisation–reionisation, and computational studies of [Ge,C,Hn]0/+, n = 2,3 • ARTICLE Phillip Jackson, Ragampetra Srinivas, Norbert Langermann, Martin Diefenbach, Detlef Schröder and Helmut Schwarz SummaryPlus | Full Text + Links | PDF (261 K) | |||
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Theoretical study of cation/ether complexes: 15-crown-5 and its alkali metal complexes • ARTICLE Susan E. Hill and David Feller SummaryPlus | Full Text + Links | PDF (726 K) | |||
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Unimolecular reaction dynamics from kinetic energy release distributions. VI. Energy-selected ions • ARTICLE J. C. Lorquet SummaryPlus | Full Text + Links | PDF (145 K) | |||
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Structures and reactivity of gaseous glycine and its derivatives • ARTICLE Bülent Balta, Maral Basma, Viktorya Aviyente, Chuanbao Zhu and Chava Lifshitzb1 SummaryPlus | Full Text + Links | PDF (501 K) | |||
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A study of complexes Mg(NH3)n+· and Ag(NH3)n+, where n = 1–8: competition between direct coordination and solvation through hydrogen bonding • ARTICLE Tamer Shoeib, Rebecca K. Milburn, Gregory K. Koyanagi, Vitali V. Lavrov, Diethard K. Bohme, K. W. Michael Siu and Alan C. Hopkinson SummaryPlus | Full Text + Links | PDF (343 K) | |||
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The gas-phase acidity of cyclopropene and simple alkyl derivatives: can they be measured? • ARTICLE Sangdon Han, Michael C. Hare and Steven R. Kass SummaryPlus | Full Text + Links | PDF (155 K) | |||
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Spin–orbit induced predissociation dynamics of HCl+ and HBr+ ions: temporal and spectral representations • ARTICLE Mikhail V. Korolkov, Karl-Michael Weitzel and Sigrid D. Peyerimhoff Abstract | PDF (442 K) | |||
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Ab initio study of Arn–HCO+ (n = 0–6): insight into size dependent cluster ion properties • ARTICLE K. O. Sullivan and Gregory I. Gellene SummaryPlus | Full Text + Links | PDF (257 K) | |||
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Radiative electron attachment to small linear carbon clusters and its significance for the chemistry of diffuse interstellar clouds • ARTICLE R. Terzieva and Eric Herbst SummaryPlus | Full Text + Links | PDF (89 K) | |||
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Theoretical study of hydrogen exchange in the reaction of FeC5H6+ with H2 • ARTICLE Michael L. McKee SummaryPlus | Full Text + Links | PDF (136 K) | |||
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Spin-forbidden F+ transfer between 2NF+ and CO: a computational study on the detailed mechanistic aspects • ARTICLE Massimiliano Aschi and Felice Grandinetti SummaryPlus | Full Text + Links | PDF (201 K) | |||
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Intramolecular hydrogen migrations in ionized aliphatic alcohols. Barton type and related rearrangements • ARTICLE Guy Bouchoux and Nadège Choret SummaryPlus | Full Text + Links | PDF (471 K) | |||
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Mediators for hydrogenation of carbon monoxide: theoretical study of addition of H2 to HCO+ in the presence of CO or H2O • ARTICLE Åse Marit Leere Øiestad and Einar Uggerud SummaryPlus | Full Text + Links | PDF (187 K) | |||
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Electron-impact total ionization cross sections of SFx(x = 1–5) • ARTICLE M. Asgar Ali, Karl K. Irikura and Yong-Ki Kim Abstract | PDF (135 K) | |||
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Structural changes induced by an excess electron in small mercury clusters • ARTICLE Yixuan Wang, Heinz-Jürgen Flad and Michael Dolg SummaryPlus | Full Text + Links | PDF (85 K) | |||
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Formation of three-membered phosphorus heterocycles via ligand-exchange reactions in mono-adducts of the phosphenium ion: an ab initio investigation • ARTICLE Theis I. Sølling, S. Bruce Wild and Leo Radom SummaryPlus | Full Text + Links | PDF (261 K) | |||
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Cu+ reactivity trends in sp, sp2, and sp3 nitrogen, phosphorus, and arsenic containing bases • ARTICLE Alberto Luna, Manuel Alcamí, Otilia Mó and Manuel Máñez SummaryPlus | Full Text + Links | PDF (1055 K) | |||
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Energy transfer pathways in the collisional activation of peptides • ARTICLE Oussama Meroueh and William L. Hase SummaryPlus | Full Text + Links | PDF (347 K) | |||
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Bi-dipole-bound anions • ARTICLE Maciej Gutowski, Piotr Skurski and Jack Simons SummaryPlus | Full Text + Links | PDF (147 K) | |||
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Density functional theory predictions for the binding of transition metal cations to pi systems: from acetylene to coronene and tribenzocyclyne • ARTICLE Stephen J. Klippenstein and Chia-Ning Yang Abstract | PDF (134 K) | |||
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Heat of formation of the CF2++ dication: a theoretical estimate • ARTICLE Jan Hru Abstract | PDF (65 K) | |||
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Coupled cluster calculations for the SN2 reaction Cl− + CH3Br → ClCH3 + Br− • ARTICLE Stefan Schmatz, Peter Botschwina and Hermann Stoll SummaryPlus | Full Text + Links | PDF (56 K) | |||
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Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons • ARTICLE Donald H. Aue, Michele Guidoni and L. D. Betowski SummaryPlus | Full Text + Links | PDF (292 K) | |||
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Structural and electronic characterisation of the organometallic distonic ion (C6H6)Fe+(p-C6H4)· • ARTICLE Brian F. Yates SummaryPlus | Full Text + Links | PDF (477 K) | |||
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Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase. I. Electrosprayed ions which are structurally different from their liquid phase precursors • ARTICLE Françoise Rogalewicz, Yannik Hoppilliard and Gilles Ohanessian SummaryPlus | Full Text + Links | PDF (506 K) | |||
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Radical cations of DNA bases: some insights on structure and fragmentation patterns by density functional methods • ARTICLE Roberto Improta, Giovanni Scalmani and Vincenzo Barone SummaryPlus | Full Text + Links | PDF (337 K) | |||
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Gas phase ion chemistry: a fruitful playground for the interplay between experiment and theory • ARTICLE William L. Hase and Wolfram Koch SummaryPlus | Full Text + Links | PDF (25 K) | |||
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